Vitas-M small molecule compound
(8R,10R,13S,17S)-3-methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxirane]
Catalog ID
STK801877
SMILES COC1=CC2=CC[C@@H]3C([C@]2(CC1)C)CC[C@]1(C3CC[C@]21CO2)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H30O2 MW 314.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O2/c1-19-9-6-15(22-3)12-14(19)4-5-16-17(19)7-10-20(2)18(16)8-11-21(20)13-23-21/h4,12,16-18H,5-11,13H2,1-3H3/t16-,17?,18?,19+,20+,21-/m1/s1InChIKey
HECCEGWAJYZYKW-CPNQJYCKSA-NSynonyms
(2S8R9S10R13S14S)3methoxy1013dimethyl1278910111213141516dodecahydrospiro(cyclopenta(a)phenanthrene172oxirane)
(8R10R13S17S)3methoxy1013dimethyl1278910111213141516dodecahydrospiro(cyclopenta(a)phenanthrene172oxirane)
(8R10R13S17S)3methoxy1013dimethylspiro(127891112141516decahydrocyclopenta(a)phenanthrene172oxirane)
CC12CCC(=CC1=CCC3C2CCC4(C3CCC45CO5)C)OC
COC1=CC2=CC(C@@H)3(C@@H)((C@)2(CC1)C)CC(C@)1((C@H)3CC(C@)21CO2)C
COC1=CC2=CC(C@@H)3C((C@)2(CC1)C)CC(C@)1(C3CC(C@)21CO2)C
InChI=1SC21H30O2c1199615(223)1214(19)451617(19)71020(2)18(16)81121(20)132321h4121618H51113H213H3t1617?18?19+20+21m1s1
MFCD09859132
ZINC000003982463
ZINC000003982466
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